2,3-dimethyl-2-propan-2-ylbutanoyl chloride

C9H17ClO — CID 3016607

IUPAC2,3-dimethyl-2-propan-2-ylbutanoyl chloride
SMILESCC(C)C(C)(C(=O)Cl)C(C)C
InChIInChI=1S/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3
InChIKeyWMEBPQLEDFWBRX-UHFFFAOYSA-N
MW176.69 g/mol
LogP3.07
Rot. Bonds3

About 2,3-dimethyl-2-propan-2-ylbutanoyl chloride

2,3-dimethyl-2-propan-2-ylbutanoyl chloride (PubChem CID 3016607) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 2,3-dimethyl-2-propan-2-ylbutanoyl chloride.

Molecular Properties

Compound Name2,3-dimethyl-2-propan-2-ylbutanoyl chloride
PubChem CID3016607
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name2,3-dimethyl-2-propan-2-ylbutanoyl chloride
SMILESCC(C)C(C)(C(=O)Cl)C(C)C
InChIInChI=1S/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3
InChIKeyWMEBPQLEDFWBRX-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3,5,5-Trimethylhexanoyl chloride
CID 161929
2,2-diethylbutanoyl Chloride
CID 5097017
2,2,3,3-Tetramethylcyclopropane-1-carbonyl chloride
CID 11041002
2-Ethyl-2-methylbutanoyl chloride
CID 11116219
2-tert-Butyl-3,3-dimethylbutanoyl chloride
CID 12547650
2-Ethyl-2-propylpentanoyl chloride
CID 73555786
2,2,3-Trimethylbutanoyl chloride
CID 12387521
2,3,3-Trimethylbutanoyl chloride
CID 12547645
2,2,3,3-Tetramethylbutanoyl chloride
CID 13262533
1-Propan-2-ylcyclopropane-1-carbonyl chloride
CID 139221862
2,3,3-Trimethyl-2-propan-2-ylbutanoyl chloride
CID 15564188
4,4-Diethylhexanoyl chloride
CID 85958096

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-propan-2-ylbutanoyl chloride?
The IUPAC name of 2,3-dimethyl-2-propan-2-ylbutanoyl chloride (CID 3016607) is 2,3-dimethyl-2-propan-2-ylbutanoyl chloride.
What is the SMILES notation for 2,3-dimethyl-2-propan-2-ylbutanoyl chloride?
The canonical SMILES for 2,3-dimethyl-2-propan-2-ylbutanoyl chloride is CC(C)C(C)(C(=O)Cl)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-propan-2-ylbutanoyl chloride?
The InChIKey is WMEBPQLEDFWBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3.
What are the key properties of 2,3-dimethyl-2-propan-2-ylbutanoyl chloride?
2,3-dimethyl-2-propan-2-ylbutanoyl chloride has a molecular weight of 176.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-propan-2-ylbutanoyl chloride is sourced from PubChem (CID 3016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).